SCHEMBL5116727

SCHEMBL5116727

COc1ccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.68
GRK2 P25098 13/20 0.68
PRKCA P17252 6/20 0.68
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
PRKACA P17612 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
PRKX P51817 1/20 0.53
PRKCQ Q04759 1/20 0.53
ROCK1 Q13464 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
GRK3 P35626 2/20 0.53
GRK5 P34947 1/20 0.53
GRK7 Q8WTQ7 1/20 0.53
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4788257 0.89 ROCK2 (0.56) ROCK2GRK2PRKCACYP3A4CYP2D6
SCHEMBL5122272 0.87 ROCK2 (0.76) ROCK2GRK2PRKCACYP3A4CYP2D6
SCHEMBL4790264 0.86 ROCK2 (0.53) ROCK2GRK2PRKCACYP3A4GRK3
SCHEMBL4790124 0.85 ROCK2 (0.59) ROCK2GRK2PRKCAPRKACAGSK3A
SCHEMBL5112465 0.85 ROCK2 (0.56) ROCK2GRK2PRKCAPRKACAGSK3A
SCHEMBL5116756 0.85 ROCK2 (0.59) ROCK2GRK2PRKCACYP3A4CYP2D6
SCHEMBL5117843 0.84 ROCK2 (0.61) ROCK2GRK2PRKCAROCK1GRK3
SCHEMBL5123857 0.83 ROCK2 (0.57) ROCK2GRK2PRKCAPRKACAGSK3A
SCHEMBL4789976 0.81 ROCK2 (0.60) ROCK2GRK2PRKCACYP3A4CYP2D6
SCHEMBL5117901 0.81 ALDH1A1 (0.54) ROCK2GRK2PRKCAGRK3GRK5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA ROCK2 2/4885GRK2 254/4885PRKCA 110/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.